2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium

C24H54N5OS+ — CID 20576071

IUPAC2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium
SMILESCCCCCCCCCCCCSCC(C)C(=O)NCCNCCNCCNCC[NH3+]
InChIInChI=1S/C24H53N5OS/c1-3-4-5-6-7-8-9-10-11-12-21-31-22-23(2)24(30)29-20-19-28-18-17-27-16-15-26-14-13-25/h23,26-28H,3-22,25H2,1-2H3,(H,29,30)/p+1
InChIKeyMUSSPPVBAMMZOG-UHFFFAOYSA-O
MW460.80 g/mol
LogP2.40
Rot. Bonds25

About 2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium

2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium (PubChem CID 20576071) has the molecular formula C24H54N5OS+ and a molecular weight of 460.80 g/mol. Its IUPAC name is 2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium.

Molecular Properties

Compound Name2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium
PubChem CID20576071
Molecular FormulaC24H54N5OS+
Molecular Weight460.80 g/mol
Exact Mass460.40
IUPAC Name2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium
SMILESCCCCCCCCCCCCSCC(C)C(=O)NCCNCCNCCNCC[NH3+]
InChIInChI=1S/C24H53N5OS/c1-3-4-5-6-7-8-9-10-11-12-21-31-22-23(2)24(30)29-20-19-28-18-17-27-16-15-26-14-13-25/h23,26-28H,3-22,25H2,1-2H3,(H,29,30)/p+1
InChIKeyMUSSPPVBAMMZOG-UHFFFAOYSA-O
XLogP2.40
TPSA92.83 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.80
LogP ≤ 52.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium with MolForge

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Related Compounds

N-[2-(2-aminoethylamino)ethyl]-3-dodecylsulfanyl-2-methylpropanamide
CID 14597110
4-dodecylsulfanyl-3-methylbutan-2-one
CID 20576075
methyl 3-decylsulfanyl-2-methylpropanoate
CID 66112872
ethyl 2-methyl-3-pentylsulfanylpropanoate
CID 107746182
2-methyl-N-[2-(propylamino)ethyl]butanamide
CID 62658824
(2R)-2-acetamido-3-tetradecylsulfanylpropanoic acid
CID 12019095
(2R)-2-acetamido-3-nonylsulfanylpropanoic acid
CID 12019090
N-[(2R)-4-chloro-1-nonylsulfanyl-3-oxobutan-2-yl]acetamide
CID 12019108
2-[[3-carboxy-2-(dodecylsulfanylcarbothioylsulfanylmethyl)-3-methylbutanoyl]amino]ethylazanium
CID 153304881
ethyl 3-pentylsulfanyl-2-(propylamino)propanoate
CID 107755402
(2R)-3-butylsulfanyl-2-methylpropanoic acid
CID 159374955
2-methyl-N-nonyldecanamide
CID 141429494

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium?
The IUPAC name of 2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium (CID 20576071) is 2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium.
What is the SMILES notation for 2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium?
The canonical SMILES for 2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium is CCCCCCCCCCCCSCC(C)C(=O)NCCNCCNCCNCC[NH3+].
What is the InChIKey of 2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium?
The InChIKey is MUSSPPVBAMMZOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H53N5OS/c1-3-4-5-6-7-8-9-10-11-12-21-31-22-23(2)24(30)29-20-19-28-18-17-27-16-15-26-14-13-25/h23,26-28H,3-22,25H2,1-2H3,(H,29,30)/p+1.
What are the key properties of 2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium?
2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium has a molecular weight of 460.80 g/mol, XLogP of 2.40, 25 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium is sourced from PubChem (CID 20576071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).